In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 15 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.28 | 0.56 | -44.78 | 4 | 3 | 1 | 51 | 209.313 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.28 | 0.09 | -3.97 | 3 | 3 | 0 | 49 | 208.305 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.28 | 2.78 | -30.54 | 4 | 3 | 1 | 51 | 209.313 | 6 | ↓ |